EVODEX.1-P96

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([O:5][H])[H:24].[O:6]=[C:7]1[C:8]([H:33])=[C:9]([H:34])[C:10](=[N:11][C:12]2:[C:13]([H:35]):[C:14]([Cl:15]):[C:16]([O:17][H:36]):[C:18]([Cl:19]):[C:20]:2[H:37])[C:21]([H:38])=[C:22]1[H:39]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[H:24])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:6][C:7]1:[C:8]([H:33]):[C:9]([H:34]):[C:10]([N:11]([H])[C:12]2:[C:13]([H:35]):[C:14]([Cl:15]):[C:16]([O:17][H:36]):[C:18]([Cl:19]):[C:20]:2[H:37]):[C:21]([H:38]):[C:22]:1[H:39]

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E321 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:5]-[#6:6](-[#8:7]-[H])(-[H:33])-[H].[#8:14]=[#6:15]1-[#6:16]=[#6:17]-[#6:18](=[#7:19]-[#6:20])-[#6:29]=[#6:30]-1>>[#6:5]-[#6:6](=[#8:7])-[H:33].[#8:14](-[#6:15]1:[#6:16]:[#6:17]:[#6:18](-[#7:19](-[#6:20])-[H]):[#6:29]:[#6:30]:1)-[H]

EVODEX.1-C82 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:6]-[#8:7]-[H].([#8:14].[#7:19])>>[#6:6]=[#8:7].([H]-[#8:14].[#7:19]-[H])

EVODEX.1-N113 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:6](-[#6:5])(-[#8:7]-[H])-[H:33].([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20])>>[#6:5]-[#6:6](=[#8:7])-[H:33].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

EVODEX.1-Em176 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])-[#8:7]-[H].[#8:14]=[#6:15]1-[#6:16]=[#6:17]-[#6:18](=[#7:19]-[#6:20])-[#6:29]=[#6:30]-1>>[#6:5]-[#6:6]=[#8:7].[H]-[#8:14]-[#6:15]1:[#6:16]:[#6:17]:[#6:18](-[#7:19](-[H])-[#6:20]):[#6:29]:[#6:30]:1

EVODEX.1-Cm75 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:6]-[#8:7]-[H].([#8:14].[#7:19])>>[#6:6]=[#8:7].([H]-[#8:14].[#7:19]-[H])

EVODEX.1-Nm189 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:6](-[#6:5])-[#8:7]-[H].([#8:14]=[#6:15].[#6:18]=[#7:19]-[#6:20])>>[#6:5]-[#6:6]=[#8:7].([H]-[#8:14]-[#6:15].[#6:18]-[#7:19](-[H])-[#6:20])

Source Full Reactions

EVODEX.1-R129

Full Reaction Rendering

[H][C:4]([C:3]([C:2]([C:1]([H:30])([H:31])[H:32])([H:28])[H:29])([H:26])[H:27])([O:5][H])[H:24].[O:6]=[C:7]1[C:8]([H:33])=[C:9]([H:34])[C:10](=[N:11][C:12]2:[C:13]([H:35]):[C:14]([Cl:15]):[C:16]([O:17][H:36]):[C:18]([Cl:19]):[C:20]:2[H:37])[C:21]([H:38])=[C:22]1[H:39]>>[C:1]([C:2]([C:3]([C:4](=[O:5])[H:24])([H:26])[H:27])([H:28])[H:29])([H:30])([H:31])[H:32].[H][O:6][C:7]1:[C:8]([H:33]):[C:9]([H:34]):[C:10]([N:11]([H])[C:12]2:[C:13]([H:35]):[C:14]([Cl:15]):[C:16]([O:17][H:36]):[C:18]([Cl:19]):[C:20]:2[H:37]):[C:21]([H:38]):[C:22]:1[H:39]